KEGG   DRUG: Flufenamate aluminum
Entry
D03254                      Drug                                   

Name
Flufenamate aluminum (JAN);
Flufenamic acid aluminum;
Opyrin (TN)
Formula
(C14H9F3NO2)3. Al
Exact mass
867.1572
Mol weight
867.6474
Structure
Class
Anti-inflammatory
 DG01911  Anti-inflammatory drug, fenamic acid derivatives
 DG01504  Nonsteroidal anti-inflammatory drug (NSAID)
  DG01911  Anti-inflammatory drug, fenamic acid derivatives
Remark
Therapeutic category: 1141
ATC code: M01AG03
Chemical structure group: DG00757
Product (DG00757): D01823<JP> D03254<JP>
Efficacy
Analgesic, Anti-inflammatory, Antipyretic, COX inhibitor
Comment
Aniline derivative, Fenamic acid derivative
Target
PTGS1 (COX1) [HSA:5742] [KO:K00509]
PTGS2 (COX2) [HSA:5743] [KO:K11987]
  Pathway
hsa00590  Arachidonic acid metabolism
Interaction
Structure map
map07219  Cyclooxygenase inhibitors
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 M MUSCULO-SKELETAL SYSTEM
  M01 ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
   M01A ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
    M01AG Fenamates
     M01AG03 Flufenamic acid
      D03254  Flufenamate aluminum (JAN) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  11  Agents affecting central nervous system
   114  Antipyretics and analgesics, anti-inflammatory agents
    1141  Anilines
     D03254  Flufenamate aluminum (JAN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Prostaglandin synthase
    PTGS1 (COX1)
     D03254  Flufenamate aluminum (JAN) <JP>
    PTGS2 (COX2)
     D03254  Flufenamate aluminum (JAN) <JP>
Other DBs
CAS: 16449-54-0
PubChem: 17397407
DrugBank: DB02266
LigandBox: D03254
NIKKAJI: J60.106C
LinkDB
KCF data

ATOM        61
            1   C8x C    19.6700  -19.4600
            2   C8y C    19.6700  -18.0600
            3   C8y C    18.4576  -17.3600
            4   C8x C    17.2451  -18.0600
            5   C8x C    17.2451  -19.4600
            6   C8x C    18.4576  -20.1600
            7   N1b N    20.8824  -17.3600
            8   C8y C    22.0779  -18.0504
            9   C8x C    22.0779  -19.4597
            10  C8x C    23.2904  -20.1597
            11  C8x C    24.5028  -19.4597
            12  C8y C    24.5028  -18.0503
            13  C8x C    23.2903  -17.3504
            14  C6a C    18.4576  -15.9602
            15  O6a O    19.6868  -15.2504 #-
            16  O6a O    17.2620  -15.2698
            17  C1d C    25.7089  -17.3540
            18  X   F    26.9214  -16.6540
            19  X   F    26.4089  -18.5664
            20  X   F    25.0089  -16.1415
            21  Z   Al   32.5500  -17.8500 #3+
            22  C8x C    19.6700  -19.4600
            23  C8y C    19.6700  -18.0600
            24  C8y C    18.4576  -17.3600
            25  C8x C    17.2451  -18.0600
            26  C8x C    17.2451  -19.4600
            27  C8x C    18.4576  -20.1600
            28  C6a C    18.4576  -15.9602
            29  O6a O    19.6868  -15.2504 #-
            30  O6a O    17.2620  -15.2698
            31  N1b N    20.8824  -17.3600
            32  C8y C    22.0779  -18.0504
            33  C8x C    22.0779  -19.4597
            34  C8x C    23.2904  -20.1597
            35  C8x C    24.5028  -19.4597
            36  C8y C    24.5028  -18.0503
            37  C8x C    23.2903  -17.3504
            38  C1d C    25.7089  -17.3540
            39  X   F    26.9214  -16.6540
            40  X   F    26.4089  -18.5664
            41  X   F    25.0089  -16.1415
            42  C8x C    19.6700  -19.4600
            43  C8y C    19.6700  -18.0600
            44  C8y C    18.4576  -17.3600
            45  C8x C    17.2451  -18.0600
            46  C8x C    17.2451  -19.4600
            47  C8x C    18.4576  -20.1600
            48  C6a C    18.4576  -15.9602
            49  O6a O    19.6868  -15.2504 #-
            50  O6a O    17.2620  -15.2698
            51  N1b N    20.8824  -17.3600
            52  C8y C    22.0779  -18.0504
            53  C8x C    22.0779  -19.4597
            54  C8x C    23.2904  -20.1597
            55  C8x C    24.5028  -19.4597
            56  C8y C    24.5028  -18.0503
            57  C8x C    23.2903  -17.3504
            58  C1d C    25.7089  -17.3540
            59  X   F    26.9214  -16.6540
            60  X   F    26.4089  -18.5664
            61  X   F    25.0089  -16.1415
BOND        63
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     2   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14    8  13 2
            15    3  14 1
            16   14  15 1
            17   14  16 2
            18   12  17 1
            19   17  18 1
            20   17  19 1
            21   17  20 1
            22   22  23 2
            23   23  24 1
            24   24  25 2
            25   25  26 1
            26   26  27 2
            27   22  27 1
            28   23  31 1
            29   31  32 1
            30   32  33 1
            31   33  34 2
            32   34  35 1
            33   35  36 2
            34   36  37 1
            35   32  37 2
            36   24  28 1
            37   28  29 1
            38   28  30 2
            39   36  38 1
            40   38  39 1
            41   38  40 1
            42   38  41 1
            43   42  43 2
            44   43  44 1
            45   44  45 2
            46   45  46 1
            47   46  47 2
            48   42  47 1
            49   43  51 1
            50   51  52 1
            51   52  53 1
            52   53  54 2
            53   54  55 1
            54   55  56 2
            55   56  57 1
            56   52  57 2
            57   44  48 1
            58   48  49 1
            59   48  50 2
            60   56  58 1
            61   58  59 1
            62   58  60 1
            63   58  61 1
BRACKET     1    15.8200  -21.0000   15.8200  -14.0000
            1    28.2800  -14.0000   28.2800  -21.0000
            1  3
 ORIGINAL  1    1   2   3   4   5   6  14  15  16   7   8   9  10  11  12  13
            1   17  18  19  20
 REPEAT    1   22  23  24  25  26  27  28  29  30  31  32  33  34  35  36  37
            1   38  39  40  41  42  43  44  45  46  47  48  49  50  51  52  53
            1   54  55  56  57  58  59  60  61

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